CID 72941805

343272-52-6

Structural Information

Molecular Formula
C18H20O2
SMILES
CC1CC(CC(=O)C1)C2=CC3=C(C=C2)C=C(C=C3)OC
InChI
InChI=1S/C18H20O2/c1-12-7-16(10-17(19)8-12)14-3-4-15-11-18(20-2)6-5-13(15)9-14/h3-6,9,11-12,16H,7-8,10H2,1-2H3
InChIKey
JAQDUSAFXSHFAH-UHFFFAOYSA-N
Compound name
3-(6-methoxynaphthalen-2-yl)-5-methylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.14633 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15361 161.8
[M+Na]+ 291.13555 168.8
[M-H]- 267.13905 169.0
[M+NH4]+ 286.18015 179.4
[M+K]+ 307.10949 164.5
[M+H-H2O]+ 251.14359 154.0
[M+HCOO]- 313.14453 180.8
[M+CH3COO]- 327.16018 200.6
[M+Na-2H]- 289.12100 165.0
[M]+ 268.14578 160.3
[M]- 268.14688 160.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.